SCHEMBL3958112

SCHEMBL3958112

Cc1cc(Br)c(C(=O)O)cc1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.55
FYN P06241 1/20 0.55
HSD17B10 Q99714 3/20 0.50
TSHR P16473 1/20 0.50
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA3 P07451 1/20 0.48
CA4 P22748 1/20 0.48
CA6 P23280 1/20 0.48
CA5A P35218 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA13 Q8N1Q1 1/20 0.48
CA14 Q9ULX7 1/20 0.48
CA5B Q9Y2D0 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 2/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL26841753 0.88 LCK (0.53) LCKFYNHSD17B10TSHRCA12
SCHEMBL2537783 0.88 LCK (0.53) LCKFYNHSD17B10TSHRCA12
SCHEMBL27506179 0.88 LCK (0.53) LCKFYNHSD17B10TSHRCA12
SCHEMBL31371830 0.85 LCK (0.50) LCKFYNHSD17B10TSHRCA12
SCHEMBL3686898 0.85 LCK (0.50) LCKFYNHSD17B10TSHRCA12
SCHEMBL2796102 0.84 HSD17B10 (0.44) LCKFYNHSD17B10TSHRCA12
SCHEMBL30294917 0.83 LCK (0.48) LCKFYNHSD17B10TSHRCA12
SCHEMBL1250619 0.83 LCK (0.48) LCKFYNHSD17B10TSHRCA12
SCHEMBL15719837 0.83 LCK (0.48) LCKFYNHSD17B10TSHRCA12
SCHEMBL851686 0.83 LCK (0.48) LCKFYNHSD17B10TSHRCA12

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3939577-A1 PHARMACEUTICAL COMPOSITION COMPRISING A GLUCOPYRANOSYL-SUBSTITUTED BENZENE DERIVATIVE Boehringer Ingelheim International GmbH (DE) 2022-01-19 EP disclosed
EP-3284734-B1 METHOD FOR PRODUCING 2-HALOGENATED BENZOIC ACIDS SUMITOMO SEIKA CHEMICALS (JP) 2021-12-01 EP disclosed
US-10364206-B2 Method for producing 2-halogenated benzoic acids SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2019-07-30 US disclosed
US-20180086687-A1 METHOD FOR PRODUCING 2-HALOGENATED BENZOIC ACIDS SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2018-03-29 US disclosed
EP-3284734-A1 METHOD FOR PRODUCING 2-HALOGENATED BENZOIC ACIDS Sumitomo Seika Chemicals CO. LTD. (JP) 2018-02-21 EP disclosed
WO-2009027785-A2 1, 3-OXAZOLE DERIVATIVES AS CETP INHIBITORS PFIZER PRODUCTS INC. (US) 2009-03-05 WO disclosed
WO-2009027785-A2 1, 3-OXAZOLE DERIVATIVES AS CETP INHIBITORS PFIZER PRODUCTS INC. (US) 2009-03-05 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180086687-A1 METHOD FOR PRODUCING 2-HALOGENATED BENZOIC ACIDS HAO2, HACL2, GABBR2 LCK 4560/4885FYN 2560/4885HSD17B10 140/4885
US-10364206-B2 Method for producing 2-halogenated benzoic acids HAO2, HACL2, GABBR2 LCK 4560/4885FYN 2560/4885HSD17B10 140/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.